A new method for conformational analysis by photoelectron spectroscopy with application to alkyl-substituted styrenes.
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概要
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A new method for molecular conformational analysis using photoelectron spectral data was developed and applied to alkyl-substituted styrenes as an example. The dihedral angle between the phenyl ring and the olefinic group planes, θ, in each molecule is evaluated by comparing the observed difference between the first and the third vertical ionization energies, Δ<I>E</I><SUB>iv</SUB><SUP>1.3</SUP>, with the empirically estimated Δ<I>E</I><SUB>iv</SUB><SUP>1.3</SUP> <I>vs.</I> θ curve, the alkyl substituent effect being taken into account by the first order perturbation theory. The new method gives reasonable results consistent qualitatively with those given by other former methods.
- 公益社団法人 日本化学会の論文
著者
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Arai Tatsuo
Department Of Applied Physics Nagoya University
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Sakuragi Hirochika
Department Of Chemistry University Of Tsukuba
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Tokumaru Katsumi
Department of Chemistry Faculty of Science The University of Tokyo
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Sakuragi Hirochika
Department of Chemistry, The University of Tsukuba
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Kobayashi Tsunetoshi
The Institute of Physical and Chemical Research
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Utsunomiya Chikatoshi
The Institute of Physical and Chemical Research
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Kobayashi Tsunetoshi
The Institute for Solid State Physics, The University of Tokyo
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Utsunomiya Chikatoshi
The Institute for Solid State Physics, The University of Tokyo
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